N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C29H27ClN2O5S — CID 17247356

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H27ClN2O5S/c1-3-32(38(34,35)26-16-9-21(2)10-17-26)23-12-14-24(15-13-23)36-20-29(33)31-27-19-22(30)11-18-28(27)37-25-7-5-4-6-8-25/h4-19H,3,20H2,1-2H3,(H,31,33)
InChIKeyOGUVFYNOWMDLGN-UHFFFAOYSA-N
MW551.06 g/mol
LogP6.67
Rot. Bonds10

About N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 17247356) has the molecular formula C29H27ClN2O5S and a molecular weight of 551.06 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID17247356
Molecular FormulaC29H27ClN2O5S
Molecular Weight551.06 g/mol
Exact Mass550.13
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H27ClN2O5S/c1-3-32(38(34,35)26-16-9-21(2)10-17-26)23-12-14-24(15-13-23)36-20-29(33)31-27-19-22(30)11-18-28(27)37-25-7-5-4-6-8-25/h4-19H,3,20H2,1-2H3,(H,31,33)
InChIKeyOGUVFYNOWMDLGN-UHFFFAOYSA-N
XLogP6.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.06
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126273412
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126273783
N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126267522
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126322737
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chloro-2-methylphenyl)acetamide
CID 17247131
N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649274
N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126383436

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 17247356) is N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is CCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is OGUVFYNOWMDLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O5S/c1-3-32(38(34,35)26-16-9-21(2)10-17-26)23-12-14-24(15-13-23)36-20-29(33)31-27-19-22(30)11-18-28(27)37-25-7-5-4-6-8-25/h4-19H,3,20H2,1-2H3,(H,31,33).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 551.06 g/mol, XLogP of 6.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 17247356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).